1-methyl-N-piperidin-1-yltriazole-4-carboxamide

C9H15N5O — CID 68703710

IUPAC1-methyl-N-piperidin-1-yltriazole-4-carboxamide
SMILESCn1cc(C(=O)NN2CCCCC2)nn1
InChIInChI=1S/C9H15N5O/c1-13-7-8(10-12-13)9(15)11-14-5-3-2-4-6-14/h7H,2-6H2,1H3,(H,11,15)
InChIKeyPLMRFRJKYXBHNR-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.05
Rot. Bonds2

About 1-methyl-N-piperidin-1-yltriazole-4-carboxamide

1-methyl-N-piperidin-1-yltriazole-4-carboxamide (PubChem CID 68703710) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-methyl-N-piperidin-1-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-piperidin-1-yltriazole-4-carboxamide
PubChem CID68703710
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name1-methyl-N-piperidin-1-yltriazole-4-carboxamide
SMILESCn1cc(C(=O)NN2CCCCC2)nn1
InChIInChI=1S/C9H15N5O/c1-13-7-8(10-12-13)9(15)11-14-5-3-2-4-6-14/h7H,2-6H2,1H3,(H,11,15)
InChIKeyPLMRFRJKYXBHNR-UHFFFAOYSA-N
XLogP-0.05
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-piperidin-1-yltriazole-4-carboxamide?
The IUPAC name of 1-methyl-N-piperidin-1-yltriazole-4-carboxamide (CID 68703710) is 1-methyl-N-piperidin-1-yltriazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-piperidin-1-yltriazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-piperidin-1-yltriazole-4-carboxamide is Cn1cc(C(=O)NN2CCCCC2)nn1.
What is the InChIKey of 1-methyl-N-piperidin-1-yltriazole-4-carboxamide?
The InChIKey is PLMRFRJKYXBHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-13-7-8(10-12-13)9(15)11-14-5-3-2-4-6-14/h7H,2-6H2,1H3,(H,11,15).
What are the key properties of 1-methyl-N-piperidin-1-yltriazole-4-carboxamide?
1-methyl-N-piperidin-1-yltriazole-4-carboxamide has a molecular weight of 209.25 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-piperidin-1-yltriazole-4-carboxamide is sourced from PubChem (CID 68703710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).